Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1971175 | 0.83 | SMN1; SMN2 (0.49) | MCL1ALDH1A1LDHANTRK1LMNA | |
| SCHEMBL1967078 | 0.82 | KMO (0.53) | HCRTR1HCRTR2LMNANPC1RAB9A | |
| SCHEMBL400143 | 0.81 | NTRK1 (0.60) | ALDH1A1LDHANTRK1LMNAMEN1 | |
| SCHEMBL1967935 | 0.81 | MEN1 (0.50) | ALDH1A1LDHAHCRTR1HCRTR2NTRK1 | |
| SCHEMBL1966552 | 0.80 | HCRTR1 (0.46) | LDHAHCRTR1HCRTR2NTRK1LMNA | |
| SCHEMBL6488782 | 0.80 | NPC1 (0.49) | ALDH1A1NTRK1LMNANPC1MEN1 | |
| SCHEMBL1969442 | 0.80 | NTRK1 (0.46) | ALDH1A1HCRTR1HCRTR2GABRA5NTRK1 | |
| SCHEMBL1970307 | 0.79 | MCL1 (0.50) | MCL1ALDH1A1LDHAHCRTR1HCRTR2 | |
| SCHEMBL16805987 | 0.79 | NPC1 (0.45) | ALDH1A1HCRTR1HCRTR2NTRK1LMNA | |
| SCHEMBL1971235 | 0.78 | KMO (0.47) | LDHANTRK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-01 | — | — | US | disclosed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| EP-2334643-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | Actelion Pharmaceuticals Ltd. (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | HCRTR2, HCRTR1, HRH3 | MCL1 3345/4885ALDH1A1 2292/4885LDHA 1395/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.